2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N,N-dimethylacetamide

C17H15Cl2F3N2O5S2 — CID 57378762

IUPAC2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H15Cl2F3N2O5S2/c1-24(2)16(25)9-30(26,27)15-6-3-10(18)7-14(15)23-31(28,29)11-4-5-13(19)12(8-11)17(20,21)22/h3-8,23H,9H2,1-2H3
InChIKeyCWVSRCXODIOLGM-UHFFFAOYSA-N
MW519.35 g/mol
LogP3.67
Rot. Bonds6

About 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N,N-dimethylacetamide

2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N,N-dimethylacetamide (PubChem CID 57378762) has the molecular formula C17H15Cl2F3N2O5S2 and a molecular weight of 519.35 g/mol. Its IUPAC name is 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N,N-dimethylacetamide
PubChem CID57378762
Molecular FormulaC17H15Cl2F3N2O5S2
Molecular Weight519.35 g/mol
Exact Mass517.98
IUPAC Name2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H15Cl2F3N2O5S2/c1-24(2)16(25)9-30(26,27)15-6-3-10(18)7-14(15)23-31(28,29)11-4-5-13(19)12(8-11)17(20,21)22/h3-8,23H,9H2,1-2H3
InChIKeyCWVSRCXODIOLGM-UHFFFAOYSA-N
XLogP3.67
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N,N-dimethylacetamide with MolForge

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Related Compounds

US9663460, Example 1
CID 57378320
US9663460, Example 2
CID 57378321
4-chloro-N-[5-chloro-2-(methylthio)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 57378322
4-chloro-N-[5-chloro-2-(isopropylthio)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 57378323
US9663460, Example 15
CID 57378423
US9663460, Example 18
CID 57378424
US9663460, Example 17
CID 57378425
4-chloro-N-[5-chloro-2-(ethylthio)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 57378525
US9663460, Example 27
CID 57378527
US9663460, Example 28
CID 57378528
US9663460, Example 41
CID 57378761
US9663460, Example 43
CID 57378763

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N,N-dimethylacetamide?
The IUPAC name of 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N,N-dimethylacetamide (CID 57378762) is 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N,N-dimethylacetamide is CN(C)C(=O)CS(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N,N-dimethylacetamide?
The InChIKey is CWVSRCXODIOLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2F3N2O5S2/c1-24(2)16(25)9-30(26,27)15-6-3-10(18)7-14(15)23-31(28,29)11-4-5-13(19)12(8-11)17(20,21)22/h3-8,23H,9H2,1-2H3.
What are the key properties of 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N,N-dimethylacetamide?
2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N,N-dimethylacetamide has a molecular weight of 519.35 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]sulfonyl-N,N-dimethylacetamide is sourced from PubChem (CID 57378762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).